N-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)naphtho[1,2-e]benzotriazol-10-amine

C44H28N4O — CID 164740322

IUPACN-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)naphtho[1,2-e]benzotriazol-10-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(c2)oc2ccccc23)c2ccc3ccc4ccc5nn(-c6ccccc6)nc5c4c3c2)cc1
InChIInChI=1S/C44H28N4O/c1-3-11-29(12-4-1)35-15-7-9-17-40(35)47(34-24-25-37-36-16-8-10-18-41(36)49-42(37)28-34)33-23-21-30-19-20-31-22-26-39-44(43(31)38(30)27-33)46-48(45-39)32-13-5-2-6-14-32/h1-28H
InChIKeyCAWVRSNSDVZHGQ-UHFFFAOYSA-N
MW628.74 g/mol
LogP11.76
Rot. Bonds5

About N-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)naphtho[1,2-e]benzotriazol-10-amine

N-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)naphtho[1,2-e]benzotriazol-10-amine (PubChem CID 164740322) has the molecular formula C44H28N4O and a molecular weight of 628.74 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)naphtho[1,2-e]benzotriazol-10-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)naphtho[1,2-e]benzotriazol-10-amine
PubChem CID164740322
Molecular FormulaC44H28N4O
Molecular Weight628.74 g/mol
Exact Mass628.23
IUPAC NameN-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)naphtho[1,2-e]benzotriazol-10-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(c2)oc2ccccc23)c2ccc3ccc4ccc5nn(-c6ccccc6)nc5c4c3c2)cc1
InChIInChI=1S/C44H28N4O/c1-3-11-29(12-4-1)35-15-7-9-17-40(35)47(34-24-25-37-36-16-8-10-18-41(36)49-42(37)28-34)33-23-21-30-19-20-31-22-26-39-44(43(31)38(30)27-33)46-48(45-39)32-13-5-2-6-14-32/h1-28H
InChIKeyCAWVRSNSDVZHGQ-UHFFFAOYSA-N
XLogP11.76
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.74
LogP ≤ 511.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)benzo[e]benzotriazol-8-amine
CID 164740360
N-dibenzofuran-1-yl-N,2-diphenylbenzo[e]benzotriazol-8-amine;N-dibenzofuran-3-yl-N,2-diphenylnaphtho[1,2-e]benzotriazol-10-amine;N-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)benzo[e]benzotriazol-8-amine;N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)benzo[e]benzotriazol-8-amine
CID 164956877
N-naphthalen-2-yl-N-[4-(2-phenylnaphtho[1,2-e]benzotriazol-9-yl)naphthalen-1-yl]dibenzofuran-3-amine
CID 170254578
N-dibenzothiophen-3-yl-2-phenyl-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-e]benzotriazol-10-amine
CID 170254249
N-phenyl-N-[4-(2-phenylnaphtho[1,2-e]benzotriazol-9-yl)phenyl]dibenzofuran-2-amine
CID 170254580
10-dibenzofuran-1-yl-2-phenylnaphtho[1,2-e]benzotriazole
CID 164740384
9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylnaphtho[1,2-e]benzotriazole
CID 168743066
N-dibenzofuran-2-yl-2-phenyl-N-(2-phenylphenyl)naphtho[2,1-g][1,3]benzothiazol-10-amine
CID 171607722
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 167182926
N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 174256560
N-(2-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 167087254
N,N-bis[2-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311269

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)naphtho[1,2-e]benzotriazol-10-amine?
The IUPAC name of N-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)naphtho[1,2-e]benzotriazol-10-amine (CID 164740322) is N-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)naphtho[1,2-e]benzotriazol-10-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)naphtho[1,2-e]benzotriazol-10-amine?
The canonical SMILES for N-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)naphtho[1,2-e]benzotriazol-10-amine is c1ccc(-c2ccccc2N(c2ccc3c(c2)oc2ccccc23)c2ccc3ccc4ccc5nn(-c6ccccc6)nc5c4c3c2)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)naphtho[1,2-e]benzotriazol-10-amine?
The InChIKey is CAWVRSNSDVZHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4O/c1-3-11-29(12-4-1)35-15-7-9-17-40(35)47(34-24-25-37-36-16-8-10-18-41(36)49-42(37)28-34)33-23-21-30-19-20-31-22-26-39-44(43(31)38(30)27-33)46-48(45-39)32-13-5-2-6-14-32/h1-28H.
What are the key properties of N-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)naphtho[1,2-e]benzotriazol-10-amine?
N-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)naphtho[1,2-e]benzotriazol-10-amine has a molecular weight of 628.74 g/mol, XLogP of 11.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)naphtho[1,2-e]benzotriazol-10-amine is sourced from PubChem (CID 164740322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).